2-(4-butoxyphenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
2-(4-butoxyphenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0991 |
| Compound Name: | 2-(4-butoxyphenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C21 H21 N3 O6 |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/Nc2ccc(cc2[N+]([O-])=O)OC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 4.7672 |
| logD: | 4.5328 |
| logSw: | -4.6467 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.321 |
| InChI Key: | MZZSGGGEKXMSEB-UHFFFAOYSA-N |